USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.115) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= 0 F(o=-1.8,f=-1.1) USER MOD Set 1.3: A 50 ASN :FLIP amide:sc= -1.1 F(o=-1.8!,f=-1.1) USER MOD Set 2.1: A 29 GLN : amide:sc= -0.329 K(o=0.42,f=-1.8!) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -108:sc= 0.744 (180deg=-0.149) USER MOD Set 3.1: A 17 TYR OH : rot 80:sc= 0.826 USER MOD Set 3.2: A 74 TYR OH : rot 30:sc= 0.731 USER MOD Set 4.1: A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Set 4.2: A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 5.1: A 5 HIS : no HE2:sc= 0.803 K(o=2.1,f=-6.7!) USER MOD Set 5.2: A 8 HIS : no HE2:sc= 1.25 K(o=2.1,f=-7.7!) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0349 (180deg=-0.302) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0.0878 K(o=0.088,f=-1.5!) USER MOD Single : A 11 MET CE :methyl 163:sc= -0.0782 (180deg=-0.488) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 105:sc= -0.942 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 18 TYR OH : rot 165:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 28 THR OG1 : rot -170:sc= 0.956 USER MOD Single : A 34 LYS NZ :NH3+ -134:sc= 1.17 (180deg=0.379) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 170:sc=-0.00868 (180deg=-0.123) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -2.49 X(o=-2.5,f=-2.5!) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 1.34 (180deg=1.14) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -93:sc= 1.21 USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= -0.0211 (180deg=-0.244) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.926! (180deg=-1.74!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.323 15.893 -1.656 1.00 0.00 N ATOM 2 CA MET A 1 4.926 17.297 -1.448 1.00 0.00 C ATOM 3 C MET A 1 4.944 18.053 -2.764 1.00 0.00 C ATOM 4 O MET A 1 6.008 18.343 -3.311 1.00 0.00 O ATOM 5 CB MET A 1 5.847 17.975 -0.430 1.00 0.00 C ATOM 6 CG MET A 1 5.471 19.414 -0.117 1.00 0.00 C ATOM 7 SD MET A 1 6.494 20.137 1.187 1.00 0.00 S ATOM 8 CE MET A 1 8.104 20.172 0.391 1.00 0.00 C ATOM 0 H1 MET A 1 5.306 15.389 -0.746 1.00 0.00 H new ATOM 0 H2 MET A 1 4.660 15.439 -2.316 1.00 0.00 H new ATOM 0 H3 MET A 1 6.284 15.859 -2.052 1.00 0.00 H new ATOM 0 HA MET A 1 3.910 17.310 -1.053 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.836 17.398 0.495 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.869 17.952 -0.808 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.565 20.015 -1.022 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.424 19.454 0.184 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.779 20.809 0.963 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.510 19.161 0.346 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.002 20.567 -0.620 1.00 0.00 H new ATOM 20 N GLY A 2 3.770 18.353 -3.273 1.00 0.00 N ATOM 21 CA GLY A 2 3.659 19.059 -4.519 1.00 0.00 C ATOM 22 C GLY A 2 2.223 19.349 -4.860 1.00 0.00 C ATOM 23 O GLY A 2 1.422 19.659 -3.978 1.00 0.00 O ATOM 0 H GLY A 2 2.879 18.116 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.216 19.994 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.111 18.468 -5.315 1.00 0.00 H new ATOM 27 N HIS A 3 1.888 19.253 -6.124 1.00 0.00 N ATOM 28 CA HIS A 3 0.530 19.505 -6.568 1.00 0.00 C ATOM 29 C HIS A 3 0.022 18.331 -7.372 1.00 0.00 C ATOM 30 O HIS A 3 0.787 17.680 -8.087 1.00 0.00 O ATOM 31 CB HIS A 3 0.450 20.792 -7.408 1.00 0.00 C ATOM 32 CG HIS A 3 0.810 22.036 -6.652 1.00 0.00 C ATOM 33 ND1 HIS A 3 -0.062 22.677 -5.797 1.00 0.00 N ATOM 34 CD2 HIS A 3 1.959 22.747 -6.614 1.00 0.00 C ATOM 35 CE1 HIS A 3 0.539 23.729 -5.266 1.00 0.00 C ATOM 36 NE2 HIS A 3 1.762 23.792 -5.745 1.00 0.00 N ATOM 0 H HIS A 3 2.537 19.001 -6.869 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.096 19.636 -5.686 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.115 20.695 -8.266 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.562 20.897 -7.799 1.00 0.00 H new ATOM 0 HD2 HIS A 3 2.863 22.533 -7.164 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.100 24.418 -4.560 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.454 24.503 -5.509 1.00 0.00 H new ATOM 44 N HIS A 4 -1.257 18.052 -7.246 1.00 0.00 N ATOM 45 CA HIS A 4 -1.879 16.967 -7.977 1.00 0.00 C ATOM 46 C HIS A 4 -1.987 17.337 -9.451 1.00 0.00 C ATOM 47 O HIS A 4 -2.885 18.081 -9.851 1.00 0.00 O ATOM 48 CB HIS A 4 -3.267 16.667 -7.392 1.00 0.00 C ATOM 49 CG HIS A 4 -3.979 15.506 -8.023 1.00 0.00 C ATOM 50 ND1 HIS A 4 -4.886 15.650 -9.052 1.00 0.00 N ATOM 51 CD2 HIS A 4 -3.930 14.180 -7.754 1.00 0.00 C ATOM 52 CE1 HIS A 4 -5.364 14.464 -9.382 1.00 0.00 C ATOM 53 NE2 HIS A 4 -4.800 13.560 -8.613 1.00 0.00 N ATOM 0 H HIS A 4 -1.893 18.567 -6.638 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.265 16.071 -7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.162 16.474 -6.324 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.889 17.556 -7.495 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.320 13.700 -7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.095 14.270 -10.153 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -4.981 12.557 -8.649 1.00 0.00 H new ATOM 61 N HIS A 5 -1.057 16.844 -10.246 1.00 0.00 N ATOM 62 CA HIS A 5 -1.058 17.125 -11.665 1.00 0.00 C ATOM 63 C HIS A 5 -2.201 16.381 -12.342 1.00 0.00 C ATOM 64 O HIS A 5 -2.219 15.150 -12.392 1.00 0.00 O ATOM 65 CB HIS A 5 0.311 16.778 -12.310 1.00 0.00 C ATOM 66 CG HIS A 5 0.724 15.332 -12.196 1.00 0.00 C ATOM 67 ND1 HIS A 5 1.241 14.782 -11.041 1.00 0.00 N ATOM 68 CD2 HIS A 5 0.681 14.328 -13.099 1.00 0.00 C ATOM 69 CE1 HIS A 5 1.498 13.500 -11.247 1.00 0.00 C ATOM 70 NE2 HIS A 5 1.165 13.204 -12.481 1.00 0.00 N ATOM 0 H HIS A 5 -0.292 16.247 -9.932 1.00 0.00 H new ATOM 0 HA HIS A 5 -1.213 18.194 -11.808 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.276 17.048 -13.366 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.080 17.397 -11.848 1.00 0.00 H new ATOM 0 HD1 HIS A 5 1.400 15.284 -10.167 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.331 14.398 -14.118 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.912 12.814 -10.522 1.00 0.00 H new ATOM 78 N HIS A 6 -3.169 17.136 -12.827 1.00 0.00 N ATOM 79 CA HIS A 6 -4.335 16.560 -13.487 1.00 0.00 C ATOM 80 C HIS A 6 -3.929 15.920 -14.797 1.00 0.00 C ATOM 81 O HIS A 6 -4.382 14.834 -15.142 1.00 0.00 O ATOM 82 CB HIS A 6 -5.398 17.633 -13.725 1.00 0.00 C ATOM 83 CG HIS A 6 -5.855 18.306 -12.470 1.00 0.00 C ATOM 84 ND1 HIS A 6 -5.590 19.627 -12.190 1.00 0.00 N ATOM 85 CD2 HIS A 6 -6.557 17.835 -11.415 1.00 0.00 C ATOM 86 CE1 HIS A 6 -6.108 19.938 -11.015 1.00 0.00 C ATOM 87 NE2 HIS A 6 -6.698 18.869 -10.526 1.00 0.00 N ATOM 0 H HIS A 6 -3.174 18.155 -12.778 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.759 15.793 -12.839 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.999 18.384 -14.407 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.257 17.179 -14.219 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.936 16.831 -11.295 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.056 20.905 -10.537 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.182 18.818 -9.630 1.00 0.00 H new ATOM 95 N HIS A 7 -3.049 16.592 -15.510 1.00 0.00 N ATOM 96 CA HIS A 7 -2.548 16.084 -16.762 1.00 0.00 C ATOM 97 C HIS A 7 -1.201 15.425 -16.547 1.00 0.00 C ATOM 98 O HIS A 7 -0.254 16.058 -16.082 1.00 0.00 O ATOM 99 CB HIS A 7 -2.442 17.197 -17.810 1.00 0.00 C ATOM 100 CG HIS A 7 -3.769 17.691 -18.304 1.00 0.00 C ATOM 101 ND1 HIS A 7 -4.338 17.263 -19.487 1.00 0.00 N ATOM 102 CD2 HIS A 7 -4.645 18.573 -17.769 1.00 0.00 C ATOM 103 CE1 HIS A 7 -5.504 17.864 -19.655 1.00 0.00 C ATOM 104 NE2 HIS A 7 -5.714 18.660 -18.628 1.00 0.00 N ATOM 0 H HIS A 7 -2.666 17.497 -15.238 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.252 15.342 -17.139 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -1.889 18.034 -17.383 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.862 16.831 -18.658 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -4.526 19.109 -16.839 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.171 17.725 -20.493 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.537 19.247 -18.492 1.00 0.00 H new ATOM 112 N HIS A 8 -1.138 14.153 -16.848 1.00 0.00 N ATOM 113 CA HIS A 8 0.080 13.389 -16.713 1.00 0.00 C ATOM 114 C HIS A 8 0.731 13.255 -18.075 1.00 0.00 C ATOM 115 O HIS A 8 0.088 12.802 -19.023 1.00 0.00 O ATOM 116 CB HIS A 8 -0.238 12.007 -16.132 1.00 0.00 C ATOM 117 CG HIS A 8 0.964 11.173 -15.808 1.00 0.00 C ATOM 118 ND1 HIS A 8 1.638 11.256 -14.605 1.00 0.00 N ATOM 119 CD2 HIS A 8 1.604 10.225 -16.526 1.00 0.00 C ATOM 120 CE1 HIS A 8 2.637 10.392 -14.604 1.00 0.00 C ATOM 121 NE2 HIS A 8 2.635 9.758 -15.755 1.00 0.00 N ATOM 0 H HIS A 8 -1.932 13.614 -17.195 1.00 0.00 H new ATOM 0 HA HIS A 8 0.766 13.898 -16.036 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.829 12.136 -15.225 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.860 11.463 -16.843 1.00 0.00 H new ATOM 0 HD1 HIS A 8 1.401 11.886 -13.838 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.350 9.896 -17.523 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.336 10.234 -13.796 1.00 0.00 H new ATOM 129 N SER A 9 1.984 13.663 -18.179 1.00 0.00 N ATOM 130 CA SER A 9 2.697 13.589 -19.438 1.00 0.00 C ATOM 131 C SER A 9 2.907 12.139 -19.857 1.00 0.00 C ATOM 132 O SER A 9 3.823 11.467 -19.380 1.00 0.00 O ATOM 133 CB SER A 9 4.041 14.306 -19.328 1.00 0.00 C ATOM 134 OG SER A 9 3.881 15.602 -18.782 1.00 0.00 O ATOM 0 H SER A 9 2.527 14.048 -17.406 1.00 0.00 H new ATOM 0 HA SER A 9 2.095 14.083 -20.201 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.717 13.724 -18.701 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.501 14.377 -20.314 1.00 0.00 H new ATOM 0 HG SER A 9 4.755 16.041 -18.720 1.00 0.00 H new ATOM 140 N HIS A 10 2.028 11.659 -20.720 1.00 0.00 N ATOM 141 CA HIS A 10 2.113 10.304 -21.239 1.00 0.00 C ATOM 142 C HIS A 10 3.142 10.228 -22.359 1.00 0.00 C ATOM 143 O HIS A 10 3.794 9.206 -22.556 1.00 0.00 O ATOM 144 CB HIS A 10 0.729 9.822 -21.725 1.00 0.00 C ATOM 145 CG HIS A 10 0.038 10.759 -22.686 1.00 0.00 C ATOM 146 ND1 HIS A 10 -0.642 11.889 -22.275 1.00 0.00 N ATOM 147 CD2 HIS A 10 -0.070 10.734 -24.034 1.00 0.00 C ATOM 148 CE1 HIS A 10 -1.138 12.510 -23.327 1.00 0.00 C ATOM 149 NE2 HIS A 10 -0.805 11.832 -24.401 1.00 0.00 N ATOM 0 H HIS A 10 1.238 12.195 -21.080 1.00 0.00 H new ATOM 0 HA HIS A 10 2.437 9.643 -20.435 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.846 8.851 -22.206 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.086 9.673 -20.858 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.345 9.989 -24.697 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.719 13.420 -23.309 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -1.054 12.083 -25.358 1.00 0.00 H new ATOM 157 N MET A 11 3.279 11.322 -23.089 1.00 0.00 N ATOM 158 CA MET A 11 4.236 11.410 -24.178 1.00 0.00 C ATOM 159 C MET A 11 4.995 12.725 -24.107 1.00 0.00 C ATOM 160 O MET A 11 4.406 13.774 -23.825 1.00 0.00 O ATOM 161 CB MET A 11 3.538 11.278 -25.532 1.00 0.00 C ATOM 162 CG MET A 11 2.982 9.888 -25.812 1.00 0.00 C ATOM 163 SD MET A 11 2.082 9.802 -27.370 1.00 0.00 S ATOM 164 CE MET A 11 3.403 10.124 -28.535 1.00 0.00 C ATOM 0 H MET A 11 2.732 12.171 -22.944 1.00 0.00 H new ATOM 0 HA MET A 11 4.943 10.586 -24.076 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.723 12.000 -25.580 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.244 11.541 -26.320 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.802 9.170 -25.830 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.320 9.595 -24.997 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.092 9.814 -29.533 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.631 11.190 -28.541 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.291 9.565 -28.242 1.00 0.00 H new ATOM 174 N VAL A 12 6.286 12.669 -24.348 1.00 0.00 N ATOM 175 CA VAL A 12 7.115 13.861 -24.323 1.00 0.00 C ATOM 176 C VAL A 12 7.217 14.492 -25.710 1.00 0.00 C ATOM 177 O VAL A 12 7.713 13.878 -26.653 1.00 0.00 O ATOM 178 CB VAL A 12 8.533 13.576 -23.753 1.00 0.00 C ATOM 179 CG1 VAL A 12 8.460 13.358 -22.251 1.00 0.00 C ATOM 180 CG2 VAL A 12 9.167 12.362 -24.428 1.00 0.00 C ATOM 0 H VAL A 12 6.789 11.809 -24.565 1.00 0.00 H new ATOM 0 HA VAL A 12 6.626 14.569 -23.654 1.00 0.00 H new ATOM 0 HB VAL A 12 9.159 14.444 -23.960 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.459 13.159 -21.863 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.056 14.250 -21.773 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.812 12.508 -22.038 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.158 12.188 -24.008 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.543 11.485 -24.260 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.254 12.545 -25.499 1.00 0.00 H new ATOM 190 N LYS A 13 6.718 15.709 -25.831 1.00 0.00 N ATOM 191 CA LYS A 13 6.766 16.438 -27.085 1.00 0.00 C ATOM 192 C LYS A 13 7.429 17.781 -26.862 1.00 0.00 C ATOM 193 O LYS A 13 6.867 18.643 -26.176 1.00 0.00 O ATOM 194 CB LYS A 13 5.358 16.646 -27.647 1.00 0.00 C ATOM 195 CG LYS A 13 4.637 15.367 -28.035 1.00 0.00 C ATOM 196 CD LYS A 13 3.263 15.680 -28.598 1.00 0.00 C ATOM 197 CE LYS A 13 2.518 14.430 -29.021 1.00 0.00 C ATOM 198 NZ LYS A 13 1.179 14.760 -29.575 1.00 0.00 N ATOM 0 H LYS A 13 6.271 16.217 -25.068 1.00 0.00 H new ATOM 0 HA LYS A 13 7.342 15.856 -27.805 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.759 17.174 -26.905 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.422 17.291 -28.523 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.224 14.822 -28.774 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.540 14.719 -27.164 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.678 16.213 -27.848 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.367 16.346 -29.454 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.101 13.892 -29.769 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.406 13.764 -28.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.694 13.884 -29.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.616 15.252 -28.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.289 15.376 -30.406 1.00 0.00 H new ATOM 212 N GLU A 14 8.608 17.962 -27.449 1.00 0.00 N ATOM 213 CA GLU A 14 9.399 19.173 -27.266 1.00 0.00 C ATOM 214 C GLU A 14 9.659 19.415 -25.778 1.00 0.00 C ATOM 215 O GLU A 14 9.061 20.300 -25.149 1.00 0.00 O ATOM 216 CB GLU A 14 8.715 20.387 -27.898 1.00 0.00 C ATOM 217 CG GLU A 14 9.508 21.667 -27.751 1.00 0.00 C ATOM 218 CD GLU A 14 10.784 21.657 -28.559 1.00 0.00 C ATOM 219 OE1 GLU A 14 10.723 21.913 -29.779 1.00 0.00 O ATOM 220 OE2 GLU A 14 11.855 21.392 -27.984 1.00 0.00 O ATOM 0 H GLU A 14 9.041 17.274 -28.064 1.00 0.00 H new ATOM 0 HA GLU A 14 10.354 19.032 -27.772 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.549 20.191 -28.957 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.735 20.521 -27.441 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.891 22.510 -28.063 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.750 21.821 -26.699 1.00 0.00 H new ATOM 227 N THR A 15 10.515 18.604 -25.219 1.00 0.00 N ATOM 228 CA THR A 15 10.833 18.686 -23.839 1.00 0.00 C ATOM 229 C THR A 15 11.909 19.740 -23.585 1.00 0.00 C ATOM 230 O THR A 15 12.921 19.791 -24.288 1.00 0.00 O ATOM 231 CB THR A 15 11.301 17.335 -23.345 1.00 0.00 C ATOM 232 OG1 THR A 15 10.341 16.331 -23.709 1.00 0.00 O ATOM 233 CG2 THR A 15 11.476 17.337 -21.857 1.00 0.00 C ATOM 0 H THR A 15 11.009 17.866 -25.721 1.00 0.00 H new ATOM 0 HA THR A 15 9.937 18.982 -23.294 1.00 0.00 H new ATOM 0 HB THR A 15 12.264 17.117 -23.807 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.687 15.804 -24.459 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.813 16.354 -21.529 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.217 18.086 -21.579 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.525 17.573 -21.379 1.00 0.00 H new ATOM 241 N THR A 16 11.676 20.581 -22.594 1.00 0.00 N ATOM 242 CA THR A 16 12.616 21.624 -22.257 1.00 0.00 C ATOM 243 C THR A 16 13.620 21.149 -21.252 1.00 0.00 C ATOM 244 O THR A 16 13.420 20.140 -20.601 1.00 0.00 O ATOM 245 CB THR A 16 11.931 22.880 -21.697 1.00 0.00 C ATOM 246 OG1 THR A 16 11.223 22.564 -20.495 1.00 0.00 O ATOM 247 CG2 THR A 16 10.987 23.456 -22.690 1.00 0.00 C ATOM 0 H THR A 16 10.840 20.559 -22.009 1.00 0.00 H new ATOM 0 HA THR A 16 13.113 21.883 -23.192 1.00 0.00 H new ATOM 0 HB THR A 16 12.705 23.616 -21.480 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.792 23.373 -20.147 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.515 24.344 -22.270 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.531 23.728 -23.594 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.222 22.719 -22.935 1.00 0.00 H new ATOM 255 N TYR A 17 14.679 21.915 -21.097 1.00 0.00 N ATOM 256 CA TYR A 17 15.719 21.606 -20.129 1.00 0.00 C ATOM 257 C TYR A 17 15.136 21.638 -18.725 1.00 0.00 C ATOM 258 O TYR A 17 15.530 20.862 -17.859 1.00 0.00 O ATOM 259 CB TYR A 17 16.886 22.602 -20.266 1.00 0.00 C ATOM 260 CG TYR A 17 17.623 22.507 -21.600 1.00 0.00 C ATOM 261 CD1 TYR A 17 17.226 23.268 -22.696 1.00 0.00 C ATOM 262 CD2 TYR A 17 18.709 21.654 -21.759 1.00 0.00 C ATOM 263 CE1 TYR A 17 17.893 23.179 -23.905 1.00 0.00 C ATOM 264 CE2 TYR A 17 19.380 21.564 -22.967 1.00 0.00 C ATOM 265 CZ TYR A 17 18.969 22.326 -24.033 1.00 0.00 C ATOM 266 OH TYR A 17 19.636 22.238 -25.237 1.00 0.00 O ATOM 0 H TYR A 17 14.846 22.766 -21.634 1.00 0.00 H new ATOM 0 HA TYR A 17 16.107 20.605 -20.321 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.503 23.615 -20.144 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.595 22.430 -19.456 1.00 0.00 H new ATOM 0 HD1 TYR A 17 16.384 23.938 -22.601 1.00 0.00 H new ATOM 0 HD2 TYR A 17 19.035 21.050 -20.925 1.00 0.00 H new ATOM 0 HE1 TYR A 17 17.572 23.776 -24.746 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.223 20.897 -23.070 1.00 0.00 H new ATOM 0 HH TYR A 17 20.252 22.995 -25.326 1.00 0.00 H new ATOM 276 N TYR A 18 14.178 22.531 -18.512 1.00 0.00 N ATOM 277 CA TYR A 18 13.520 22.640 -17.247 1.00 0.00 C ATOM 278 C TYR A 18 12.579 21.462 -17.055 1.00 0.00 C ATOM 279 O TYR A 18 12.449 20.934 -15.956 1.00 0.00 O ATOM 280 CB TYR A 18 12.763 23.954 -17.176 1.00 0.00 C ATOM 281 CG TYR A 18 13.651 25.185 -17.137 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.618 25.419 -18.120 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.515 26.119 -16.125 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.416 26.544 -18.079 1.00 0.00 C ATOM 285 CE2 TYR A 18 14.309 27.244 -16.084 1.00 0.00 C ATOM 286 CZ TYR A 18 15.256 27.452 -17.059 1.00 0.00 C ATOM 287 OH TYR A 18 16.049 28.570 -17.009 1.00 0.00 O ATOM 0 H TYR A 18 13.847 23.190 -19.217 1.00 0.00 H new ATOM 0 HA TYR A 18 14.260 22.624 -16.447 1.00 0.00 H new ATOM 0 HB2 TYR A 18 12.101 24.025 -18.039 1.00 0.00 H new ATOM 0 HB3 TYR A 18 12.131 23.948 -16.288 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.742 24.708 -18.924 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.774 25.963 -15.355 1.00 0.00 H new ATOM 0 HE1 TYR A 18 16.161 26.710 -18.843 1.00 0.00 H new ATOM 0 HE2 TYR A 18 14.188 27.962 -15.287 1.00 0.00 H new ATOM 0 HH TYR A 18 15.664 29.216 -16.381 1.00 0.00 H new ATOM 297 N ASP A 19 11.931 21.058 -18.150 1.00 0.00 N ATOM 298 CA ASP A 19 11.021 19.912 -18.149 1.00 0.00 C ATOM 299 C ASP A 19 11.790 18.622 -17.838 1.00 0.00 C ATOM 300 O ASP A 19 11.301 17.754 -17.116 1.00 0.00 O ATOM 301 CB ASP A 19 10.295 19.795 -19.506 1.00 0.00 C ATOM 302 CG ASP A 19 9.131 18.806 -19.462 1.00 0.00 C ATOM 303 OD1 ASP A 19 8.001 19.231 -19.147 1.00 0.00 O ATOM 304 OD2 ASP A 19 9.336 17.610 -19.746 1.00 0.00 O ATOM 0 H ASP A 19 12.022 21.514 -19.058 1.00 0.00 H new ATOM 0 HA ASP A 19 10.272 20.065 -17.372 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.923 20.776 -19.802 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.007 19.480 -20.269 1.00 0.00 H new ATOM 309 N VAL A 20 12.999 18.525 -18.383 1.00 0.00 N ATOM 310 CA VAL A 20 13.896 17.387 -18.144 1.00 0.00 C ATOM 311 C VAL A 20 14.228 17.289 -16.659 1.00 0.00 C ATOM 312 O VAL A 20 14.239 16.203 -16.079 1.00 0.00 O ATOM 313 CB VAL A 20 15.209 17.536 -18.952 1.00 0.00 C ATOM 314 CG1 VAL A 20 16.136 16.366 -18.722 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.911 17.678 -20.416 1.00 0.00 C ATOM 0 H VAL A 20 13.390 19.232 -19.005 1.00 0.00 H new ATOM 0 HA VAL A 20 13.385 16.481 -18.469 1.00 0.00 H new ATOM 0 HB VAL A 20 15.711 18.438 -18.602 1.00 0.00 H new ATOM 0 HG11 VAL A 20 17.047 16.504 -19.304 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.388 16.304 -17.663 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.643 15.445 -19.032 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.845 17.782 -20.969 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.378 16.794 -20.766 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.294 18.562 -20.578 1.00 0.00 H new ATOM 325 N LEU A 21 14.483 18.440 -16.055 1.00 0.00 N ATOM 326 CA LEU A 21 14.821 18.512 -14.626 1.00 0.00 C ATOM 327 C LEU A 21 13.566 18.470 -13.774 1.00 0.00 C ATOM 328 O LEU A 21 13.641 18.308 -12.559 1.00 0.00 O ATOM 329 CB LEU A 21 15.613 19.800 -14.304 1.00 0.00 C ATOM 330 CG LEU A 21 17.150 19.762 -14.495 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.836 19.066 -13.341 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.542 19.094 -15.786 1.00 0.00 C ATOM 0 H LEU A 21 14.464 19.344 -16.527 1.00 0.00 H new ATOM 0 HA LEU A 21 15.443 17.648 -14.395 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.217 20.603 -14.926 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.410 20.070 -13.268 1.00 0.00 H new ATOM 0 HG LEU A 21 17.478 20.801 -14.529 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.913 19.058 -13.509 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.617 19.596 -12.414 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.473 18.041 -13.267 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.628 19.090 -15.878 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.173 18.068 -15.791 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.109 19.640 -16.624 1.00 0.00 H new ATOM 344 N GLY A 22 12.414 18.583 -14.422 1.00 0.00 N ATOM 345 CA GLY A 22 11.157 18.543 -13.717 1.00 0.00 C ATOM 346 C GLY A 22 11.057 19.636 -12.679 1.00 0.00 C ATOM 347 O GLY A 22 10.553 19.413 -11.577 1.00 0.00 O ATOM 0 H GLY A 22 12.333 18.702 -15.432 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.338 18.643 -14.429 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.043 17.573 -13.234 1.00 0.00 H new ATOM 351 N VAL A 23 11.522 20.819 -13.028 1.00 0.00 N ATOM 352 CA VAL A 23 11.574 21.913 -12.091 1.00 0.00 C ATOM 353 C VAL A 23 10.754 23.094 -12.611 1.00 0.00 C ATOM 354 O VAL A 23 10.404 23.145 -13.790 1.00 0.00 O ATOM 355 CB VAL A 23 13.040 22.351 -11.848 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.495 23.408 -12.849 1.00 0.00 C ATOM 357 CG2 VAL A 23 13.249 22.796 -10.409 1.00 0.00 C ATOM 0 H VAL A 23 11.870 21.043 -13.960 1.00 0.00 H new ATOM 0 HA VAL A 23 11.150 21.577 -11.145 1.00 0.00 H new ATOM 0 HB VAL A 23 13.673 21.479 -12.013 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.528 23.685 -12.641 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.424 23.006 -13.860 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.859 24.289 -12.763 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.287 23.098 -10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.593 23.639 -10.190 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.017 21.971 -9.736 1.00 0.00 H new ATOM 367 N LYS A 24 10.450 24.035 -11.735 1.00 0.00 N ATOM 368 CA LYS A 24 9.669 25.193 -12.114 1.00 0.00 C ATOM 369 C LYS A 24 10.552 26.233 -12.791 1.00 0.00 C ATOM 370 O LYS A 24 11.760 26.277 -12.574 1.00 0.00 O ATOM 371 CB LYS A 24 9.014 25.844 -10.890 1.00 0.00 C ATOM 372 CG LYS A 24 7.958 25.014 -10.179 1.00 0.00 C ATOM 373 CD LYS A 24 7.275 25.845 -9.104 1.00 0.00 C ATOM 374 CE LYS A 24 6.164 25.081 -8.407 1.00 0.00 C ATOM 375 NZ LYS A 24 5.374 25.965 -7.512 1.00 0.00 N ATOM 0 H LYS A 24 10.734 24.017 -10.755 1.00 0.00 H new ATOM 0 HA LYS A 24 8.896 24.850 -12.802 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.796 26.092 -10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.559 26.784 -11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.220 24.658 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.418 24.133 -9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.014 26.161 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.865 26.750 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.506 24.634 -9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.592 24.263 -7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.623 25.412 -7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.998 26.372 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.946 26.731 -8.070 1.00 0.00 H new ATOM 389 N PRO A 25 9.950 27.101 -13.599 1.00 0.00 N ATOM 390 CA PRO A 25 10.657 28.194 -14.256 1.00 0.00 C ATOM 391 C PRO A 25 11.116 29.241 -13.240 1.00 0.00 C ATOM 392 O PRO A 25 11.986 30.066 -13.519 1.00 0.00 O ATOM 393 CB PRO A 25 9.614 28.794 -15.218 1.00 0.00 C ATOM 394 CG PRO A 25 8.473 27.826 -15.227 1.00 0.00 C ATOM 395 CD PRO A 25 8.525 27.097 -13.926 1.00 0.00 C ATOM 0 HA PRO A 25 11.557 27.855 -14.768 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.290 29.779 -14.881 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.029 28.920 -16.218 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.523 28.348 -15.342 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.559 27.133 -16.064 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.934 27.598 -13.159 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.135 26.083 -14.016 1.00 0.00 H new ATOM 403 N ASN A 26 10.532 29.172 -12.047 1.00 0.00 N ATOM 404 CA ASN A 26 10.818 30.113 -10.982 1.00 0.00 C ATOM 405 C ASN A 26 11.640 29.449 -9.908 1.00 0.00 C ATOM 406 O ASN A 26 11.869 30.020 -8.843 1.00 0.00 O ATOM 407 CB ASN A 26 9.523 30.658 -10.388 1.00 0.00 C ATOM 408 CG ASN A 26 8.801 31.611 -11.323 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.426 32.342 -12.087 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.482 31.599 -11.287 1.00 0.00 N ATOM 0 H ASN A 26 9.847 28.459 -11.797 1.00 0.00 H new ATOM 0 HA ASN A 26 11.386 30.944 -11.399 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.862 29.826 -10.144 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.746 31.173 -9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.949 32.210 -11.906 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.995 30.979 -10.640 1.00 0.00 H new ATOM 417 N ALA A 27 12.100 28.239 -10.203 1.00 0.00 N ATOM 418 CA ALA A 27 12.876 27.469 -9.268 1.00 0.00 C ATOM 419 C ALA A 27 14.183 28.154 -8.946 1.00 0.00 C ATOM 420 O ALA A 27 14.771 28.838 -9.790 1.00 0.00 O ATOM 421 CB ALA A 27 13.116 26.097 -9.827 1.00 0.00 C ATOM 0 H ALA A 27 11.940 27.775 -11.097 1.00 0.00 H new ATOM 0 HA ALA A 27 12.317 27.383 -8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.704 25.513 -9.119 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.160 25.602 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.658 26.178 -10.769 1.00 0.00 H new ATOM 427 N THR A 28 14.621 27.975 -7.730 1.00 0.00 N ATOM 428 CA THR A 28 15.818 28.598 -7.248 1.00 0.00 C ATOM 429 C THR A 28 17.028 27.832 -7.640 1.00 0.00 C ATOM 430 O THR A 28 16.941 26.695 -8.090 1.00 0.00 O ATOM 431 CB THR A 28 15.792 28.701 -5.725 1.00 0.00 C ATOM 432 OG1 THR A 28 15.823 27.391 -5.154 1.00 0.00 O ATOM 433 CG2 THR A 28 14.540 29.373 -5.298 1.00 0.00 C ATOM 0 H THR A 28 14.151 27.387 -7.042 1.00 0.00 H new ATOM 0 HA THR A 28 15.860 29.591 -7.695 1.00 0.00 H new ATOM 0 HB THR A 28 16.658 29.272 -5.391 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.648 27.449 -4.192 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.520 29.447 -4.211 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.498 30.372 -5.731 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.682 28.793 -5.638 1.00 0.00 H new ATOM 441 N GLN A 29 18.152 28.463 -7.472 1.00 0.00 N ATOM 442 CA GLN A 29 19.431 27.833 -7.693 1.00 0.00 C ATOM 443 C GLN A 29 19.524 26.562 -6.832 1.00 0.00 C ATOM 444 O GLN A 29 20.054 25.524 -7.264 1.00 0.00 O ATOM 445 CB GLN A 29 20.537 28.835 -7.359 1.00 0.00 C ATOM 446 CG GLN A 29 21.924 28.455 -7.859 1.00 0.00 C ATOM 447 CD GLN A 29 22.823 27.911 -6.764 1.00 0.00 C ATOM 448 OE1 GLN A 29 22.361 27.290 -5.810 1.00 0.00 O ATOM 449 NE2 GLN A 29 24.113 28.146 -6.895 1.00 0.00 N ATOM 0 H GLN A 29 18.214 29.437 -7.176 1.00 0.00 H new ATOM 0 HA GLN A 29 19.546 27.536 -8.735 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.268 29.803 -7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.579 28.959 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 29 21.828 27.708 -8.647 1.00 0.00 H new ATOM 0 HG3 GLN A 29 22.395 29.330 -8.306 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.457 28.666 -7.702 1.00 0.00 H new ATOM 0 HE22 GLN A 29 24.767 27.808 -6.189 1.00 0.00 H new ATOM 458 N GLU A 30 18.966 26.657 -5.628 1.00 0.00 N ATOM 459 CA GLU A 30 18.923 25.547 -4.691 1.00 0.00 C ATOM 460 C GLU A 30 17.977 24.462 -5.219 1.00 0.00 C ATOM 461 O GLU A 30 18.291 23.267 -5.192 1.00 0.00 O ATOM 462 CB GLU A 30 18.417 26.046 -3.337 1.00 0.00 C ATOM 463 CG GLU A 30 18.431 24.992 -2.236 1.00 0.00 C ATOM 464 CD GLU A 30 17.846 25.507 -0.940 1.00 0.00 C ATOM 465 OE1 GLU A 30 16.605 25.528 -0.813 1.00 0.00 O ATOM 466 OE2 GLU A 30 18.616 25.915 -0.050 1.00 0.00 O ATOM 0 H GLU A 30 18.531 27.510 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 30 19.924 25.130 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.029 26.891 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.399 26.416 -3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.867 24.119 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.456 24.663 -2.064 1.00 0.00 H new ATOM 473 N GLU A 31 16.832 24.906 -5.729 1.00 0.00 N ATOM 474 CA GLU A 31 15.810 24.040 -6.244 1.00 0.00 C ATOM 475 C GLU A 31 16.313 23.285 -7.474 1.00 0.00 C ATOM 476 O GLU A 31 16.001 22.112 -7.669 1.00 0.00 O ATOM 477 CB GLU A 31 14.581 24.878 -6.589 1.00 0.00 C ATOM 478 CG GLU A 31 13.402 24.075 -7.066 1.00 0.00 C ATOM 479 CD GLU A 31 12.811 23.188 -5.978 1.00 0.00 C ATOM 480 OE1 GLU A 31 12.016 23.698 -5.152 1.00 0.00 O ATOM 481 OE2 GLU A 31 13.126 21.986 -5.942 1.00 0.00 O ATOM 0 H GLU A 31 16.597 25.897 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 31 15.544 23.300 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.285 25.449 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.851 25.599 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.632 24.753 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.708 23.454 -7.908 1.00 0.00 H new ATOM 488 N LEU A 32 17.100 23.963 -8.288 1.00 0.00 N ATOM 489 CA LEU A 32 17.662 23.365 -9.487 1.00 0.00 C ATOM 490 C LEU A 32 18.554 22.171 -9.151 1.00 0.00 C ATOM 491 O LEU A 32 18.455 21.115 -9.783 1.00 0.00 O ATOM 492 CB LEU A 32 18.449 24.395 -10.270 1.00 0.00 C ATOM 493 CG LEU A 32 17.633 25.345 -11.149 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.143 25.244 -10.863 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.099 26.768 -10.962 1.00 0.00 C ATOM 0 H LEU A 32 17.367 24.936 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 32 16.833 23.006 -10.098 1.00 0.00 H new ATOM 0 HB2 LEU A 32 19.027 24.992 -9.565 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.163 23.870 -10.904 1.00 0.00 H new ATOM 0 HG LEU A 32 17.794 25.046 -12.185 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.601 25.935 -11.509 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.804 24.226 -11.055 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.955 25.498 -9.820 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.508 27.430 -11.594 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.975 27.057 -9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.151 26.846 -11.238 1.00 0.00 H new ATOM 507 N LYS A 33 19.425 22.337 -8.149 1.00 0.00 N ATOM 508 CA LYS A 33 20.276 21.236 -7.700 1.00 0.00 C ATOM 509 C LYS A 33 19.429 20.129 -7.094 1.00 0.00 C ATOM 510 O LYS A 33 19.697 18.940 -7.291 1.00 0.00 O ATOM 511 CB LYS A 33 21.346 21.704 -6.706 1.00 0.00 C ATOM 512 CG LYS A 33 22.408 22.601 -7.325 1.00 0.00 C ATOM 513 CD LYS A 33 23.496 22.945 -6.317 1.00 0.00 C ATOM 514 CE LYS A 33 24.613 23.768 -6.947 1.00 0.00 C ATOM 515 NZ LYS A 33 24.164 25.125 -7.329 1.00 0.00 N ATOM 0 H LYS A 33 19.556 23.212 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 33 20.798 20.846 -8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.861 22.240 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.831 20.830 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 33 22.852 22.102 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.945 23.517 -7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.060 23.500 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.911 22.026 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.443 23.847 -6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.989 23.250 -7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.095 25.189 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.232 25.314 -6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.849 25.827 -6.984 1.00 0.00 H new ATOM 529 N LYS A 34 18.411 20.540 -6.360 1.00 0.00 N ATOM 530 CA LYS A 34 17.475 19.633 -5.714 1.00 0.00 C ATOM 531 C LYS A 34 16.758 18.739 -6.738 1.00 0.00 C ATOM 532 O LYS A 34 16.601 17.532 -6.514 1.00 0.00 O ATOM 533 CB LYS A 34 16.476 20.457 -4.892 1.00 0.00 C ATOM 534 CG LYS A 34 15.366 19.668 -4.234 1.00 0.00 C ATOM 535 CD LYS A 34 14.525 20.571 -3.353 1.00 0.00 C ATOM 536 CE LYS A 34 13.148 19.991 -3.120 1.00 0.00 C ATOM 537 NZ LYS A 34 12.368 19.951 -4.386 1.00 0.00 N ATOM 0 H LYS A 34 18.207 21.525 -6.193 1.00 0.00 H new ATOM 0 HA LYS A 34 18.023 18.964 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.025 20.994 -4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.028 21.207 -5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.738 19.206 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.790 18.860 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.026 20.717 -2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.434 21.553 -3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.237 18.985 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.617 20.590 -2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.409 20.315 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.839 20.540 -5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.310 18.970 -4.727 1.00 0.00 H new ATOM 551 N ALA A 35 16.330 19.330 -7.852 1.00 0.00 N ATOM 552 CA ALA A 35 15.681 18.569 -8.920 1.00 0.00 C ATOM 553 C ALA A 35 16.627 17.516 -9.479 1.00 0.00 C ATOM 554 O ALA A 35 16.253 16.356 -9.642 1.00 0.00 O ATOM 555 CB ALA A 35 15.220 19.503 -10.037 1.00 0.00 C ATOM 0 H ALA A 35 16.420 20.329 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 35 14.810 18.067 -8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.740 18.921 -10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.510 20.227 -9.636 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.081 20.029 -10.450 1.00 0.00 H new ATOM 561 N TYR A 36 17.863 17.922 -9.731 1.00 0.00 N ATOM 562 CA TYR A 36 18.874 17.025 -10.277 1.00 0.00 C ATOM 563 C TYR A 36 19.113 15.833 -9.375 1.00 0.00 C ATOM 564 O TYR A 36 19.150 14.700 -9.842 1.00 0.00 O ATOM 565 CB TYR A 36 20.191 17.758 -10.500 1.00 0.00 C ATOM 566 CG TYR A 36 21.339 16.836 -10.867 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.400 16.236 -12.111 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.355 16.568 -9.960 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.438 15.395 -12.450 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.398 15.730 -10.288 1.00 0.00 C ATOM 571 CZ TYR A 36 23.436 15.144 -11.535 1.00 0.00 C ATOM 572 OH TYR A 36 24.472 14.303 -11.862 1.00 0.00 O ATOM 0 H TYR A 36 18.192 18.873 -9.565 1.00 0.00 H new ATOM 0 HA TYR A 36 18.493 16.666 -11.233 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.059 18.495 -11.292 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.451 18.307 -9.595 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.619 16.430 -12.831 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.327 17.024 -8.981 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.468 14.936 -13.427 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.182 15.533 -9.572 1.00 0.00 H new ATOM 0 HH TYR A 36 25.090 14.236 -11.105 1.00 0.00 H new ATOM 582 N ARG A 37 19.265 16.091 -8.087 1.00 0.00 N ATOM 583 CA ARG A 37 19.546 15.050 -7.138 1.00 0.00 C ATOM 584 C ARG A 37 18.423 14.017 -7.110 1.00 0.00 C ATOM 585 O ARG A 37 18.675 12.814 -7.019 1.00 0.00 O ATOM 586 CB ARG A 37 19.767 15.670 -5.771 1.00 0.00 C ATOM 587 CG ARG A 37 21.054 16.473 -5.685 1.00 0.00 C ATOM 588 CD ARG A 37 21.227 17.132 -4.330 1.00 0.00 C ATOM 589 NE ARG A 37 22.464 17.920 -4.270 1.00 0.00 N ATOM 590 CZ ARG A 37 22.834 18.663 -3.223 1.00 0.00 C ATOM 591 NH1 ARG A 37 22.055 18.730 -2.148 1.00 0.00 N ATOM 592 NH2 ARG A 37 23.979 19.342 -3.256 1.00 0.00 N ATOM 0 H ARG A 37 19.196 17.024 -7.681 1.00 0.00 H new ATOM 0 HA ARG A 37 20.453 14.523 -7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.924 16.318 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 37 19.786 14.881 -5.019 1.00 0.00 H new ATOM 0 HG2 ARG A 37 21.903 15.818 -5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 37 21.056 17.237 -6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.373 17.778 -4.126 1.00 0.00 H new ATOM 0 HD3 ARG A 37 21.242 16.369 -3.552 1.00 0.00 H new ATOM 0 HE ARG A 37 23.082 17.899 -5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.175 18.214 -2.123 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.337 19.297 -1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 37 24.576 19.296 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 37 24.259 19.909 -2.455 1.00 0.00 H new ATOM 606 N LYS A 38 17.190 14.492 -7.219 1.00 0.00 N ATOM 607 CA LYS A 38 16.026 13.612 -7.255 1.00 0.00 C ATOM 608 C LYS A 38 16.069 12.700 -8.491 1.00 0.00 C ATOM 609 O LYS A 38 15.905 11.477 -8.393 1.00 0.00 O ATOM 610 CB LYS A 38 14.751 14.469 -7.286 1.00 0.00 C ATOM 611 CG LYS A 38 13.451 13.687 -7.369 1.00 0.00 C ATOM 612 CD LYS A 38 12.258 14.630 -7.421 1.00 0.00 C ATOM 613 CE LYS A 38 10.950 13.874 -7.559 1.00 0.00 C ATOM 614 NZ LYS A 38 10.699 12.969 -6.410 1.00 0.00 N ATOM 0 H LYS A 38 16.968 15.485 -7.284 1.00 0.00 H new ATOM 0 HA LYS A 38 16.031 12.982 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.727 15.090 -6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.806 15.144 -8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.458 13.053 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.362 13.027 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.234 15.236 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.372 15.315 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.129 14.586 -7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.965 13.292 -8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.726 12.604 -6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.369 12.174 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.826 13.493 -5.521 1.00 0.00 H new ATOM 628 N LEU A 39 16.311 13.306 -9.641 1.00 0.00 N ATOM 629 CA LEU A 39 16.332 12.590 -10.915 1.00 0.00 C ATOM 630 C LEU A 39 17.488 11.627 -10.987 1.00 0.00 C ATOM 631 O LEU A 39 17.350 10.512 -11.484 1.00 0.00 O ATOM 632 CB LEU A 39 16.438 13.573 -12.039 1.00 0.00 C ATOM 633 CG LEU A 39 15.441 14.696 -11.991 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.664 15.654 -13.129 1.00 0.00 C ATOM 635 CD2 LEU A 39 14.013 14.172 -11.989 1.00 0.00 C ATOM 0 H LEU A 39 16.499 14.305 -9.723 1.00 0.00 H new ATOM 0 HA LEU A 39 15.406 12.020 -10.997 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.442 13.997 -12.038 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.318 13.040 -12.982 1.00 0.00 H new ATOM 0 HG LEU A 39 15.592 15.236 -11.056 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.931 16.459 -13.075 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.668 16.072 -13.061 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.554 15.126 -14.076 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.318 15.011 -11.954 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.837 13.592 -12.895 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.860 13.537 -11.117 1.00 0.00 H new ATOM 647 N ALA A 40 18.627 12.069 -10.486 1.00 0.00 N ATOM 648 CA ALA A 40 19.847 11.266 -10.500 1.00 0.00 C ATOM 649 C ALA A 40 19.635 9.934 -9.821 1.00 0.00 C ATOM 650 O ALA A 40 20.057 8.890 -10.318 1.00 0.00 O ATOM 651 CB ALA A 40 20.996 12.022 -9.841 1.00 0.00 C ATOM 0 H ALA A 40 18.738 12.989 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 40 20.107 11.075 -11.541 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.896 11.407 -9.862 1.00 0.00 H new ATOM 0 HB2 ALA A 40 21.179 12.950 -10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.736 12.250 -8.807 1.00 0.00 H new ATOM 657 N LEU A 41 18.974 9.973 -8.695 1.00 0.00 N ATOM 658 CA LEU A 41 18.668 8.790 -7.944 1.00 0.00 C ATOM 659 C LEU A 41 17.712 7.874 -8.721 1.00 0.00 C ATOM 660 O LEU A 41 17.836 6.650 -8.679 1.00 0.00 O ATOM 661 CB LEU A 41 18.058 9.187 -6.607 1.00 0.00 C ATOM 662 CG LEU A 41 18.979 9.973 -5.666 1.00 0.00 C ATOM 663 CD1 LEU A 41 18.236 10.377 -4.411 1.00 0.00 C ATOM 664 CD2 LEU A 41 20.225 9.168 -5.318 1.00 0.00 C ATOM 0 H LEU A 41 18.631 10.835 -8.272 1.00 0.00 H new ATOM 0 HA LEU A 41 19.589 8.234 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 41 17.167 9.785 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.731 8.282 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 41 19.299 10.877 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.905 10.934 -3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.385 11.004 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.882 9.485 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 41 20.859 9.750 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 41 19.933 8.241 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 41 20.775 8.936 -6.230 1.00 0.00 H new ATOM 676 N LYS A 42 16.747 8.483 -9.405 1.00 0.00 N ATOM 677 CA LYS A 42 15.744 7.755 -10.164 1.00 0.00 C ATOM 678 C LYS A 42 16.268 7.139 -11.476 1.00 0.00 C ATOM 679 O LYS A 42 16.049 5.958 -11.745 1.00 0.00 O ATOM 680 CB LYS A 42 14.597 8.681 -10.473 1.00 0.00 C ATOM 681 CG LYS A 42 13.771 9.044 -9.265 1.00 0.00 C ATOM 682 CD LYS A 42 13.034 7.839 -8.715 1.00 0.00 C ATOM 683 CE LYS A 42 12.185 8.207 -7.512 1.00 0.00 C ATOM 684 NZ LYS A 42 11.419 7.045 -6.998 1.00 0.00 N ATOM 0 H LYS A 42 16.642 9.497 -9.446 1.00 0.00 H new ATOM 0 HA LYS A 42 15.430 6.918 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.989 9.594 -10.922 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.952 8.212 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.417 9.461 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.054 9.820 -9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.400 7.413 -9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.753 7.069 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.826 8.598 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.494 9.005 -7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.852 7.339 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.788 6.688 -7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.079 6.293 -6.713 1.00 0.00 H new ATOM 698 N TYR A 43 16.969 7.931 -12.273 1.00 0.00 N ATOM 699 CA TYR A 43 17.378 7.494 -13.623 1.00 0.00 C ATOM 700 C TYR A 43 18.865 7.192 -13.732 1.00 0.00 C ATOM 701 O TYR A 43 19.429 7.256 -14.818 1.00 0.00 O ATOM 702 CB TYR A 43 16.956 8.526 -14.683 1.00 0.00 C ATOM 703 CG TYR A 43 15.467 8.799 -14.698 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.570 7.830 -15.127 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.956 10.020 -14.271 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.209 8.068 -15.136 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.594 10.265 -14.275 1.00 0.00 C ATOM 708 CZ TYR A 43 12.726 9.284 -14.710 1.00 0.00 C ATOM 709 OH TYR A 43 11.371 9.523 -14.716 1.00 0.00 O ATOM 0 H TYR A 43 17.270 8.873 -12.023 1.00 0.00 H new ATOM 0 HA TYR A 43 16.857 6.555 -13.811 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.487 9.460 -14.501 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.263 8.171 -15.667 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.943 6.873 -15.460 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.633 10.789 -13.931 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.527 7.303 -15.476 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.213 11.218 -13.940 1.00 0.00 H new ATOM 0 HH TYR A 43 11.197 10.429 -14.384 1.00 0.00 H new ATOM 719 N HIS A 44 19.494 6.872 -12.604 1.00 0.00 N ATOM 720 CA HIS A 44 20.898 6.472 -12.576 1.00 0.00 C ATOM 721 C HIS A 44 21.220 5.428 -13.663 1.00 0.00 C ATOM 722 O HIS A 44 20.740 4.291 -13.610 1.00 0.00 O ATOM 723 CB HIS A 44 21.291 5.931 -11.182 1.00 0.00 C ATOM 724 CG HIS A 44 20.284 5.027 -10.504 1.00 0.00 C ATOM 725 ND1 HIS A 44 20.496 4.492 -9.259 1.00 0.00 N ATOM 726 CD2 HIS A 44 19.055 4.586 -10.889 1.00 0.00 C ATOM 727 CE1 HIS A 44 19.453 3.771 -8.906 1.00 0.00 C ATOM 728 NE2 HIS A 44 18.562 3.812 -9.876 1.00 0.00 N ATOM 0 H HIS A 44 19.047 6.883 -11.687 1.00 0.00 H new ATOM 0 HA HIS A 44 21.488 7.364 -12.786 1.00 0.00 H new ATOM 0 HB2 HIS A 44 22.229 5.385 -11.279 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.483 6.781 -10.527 1.00 0.00 H new ATOM 0 HD1 HIS A 44 21.333 4.631 -8.694 1.00 0.00 H new ATOM 0 HD2 HIS A 44 18.560 4.807 -11.823 1.00 0.00 H new ATOM 0 HE1 HIS A 44 19.345 3.234 -7.975 1.00 0.00 H new ATOM 736 N PRO A 45 22.062 5.810 -14.653 1.00 0.00 N ATOM 737 CA PRO A 45 22.419 4.941 -15.783 1.00 0.00 C ATOM 738 C PRO A 45 23.216 3.722 -15.355 1.00 0.00 C ATOM 739 O PRO A 45 23.281 2.725 -16.073 1.00 0.00 O ATOM 740 CB PRO A 45 23.259 5.839 -16.683 1.00 0.00 C ATOM 741 CG PRO A 45 23.788 6.881 -15.779 1.00 0.00 C ATOM 742 CD PRO A 45 22.726 7.115 -14.747 1.00 0.00 C ATOM 0 HA PRO A 45 21.532 4.539 -16.273 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.065 5.281 -17.159 1.00 0.00 H new ATOM 0 HB3 PRO A 45 22.658 6.274 -17.481 1.00 0.00 H new ATOM 0 HG2 PRO A 45 24.719 6.557 -15.314 1.00 0.00 H new ATOM 0 HG3 PRO A 45 24.008 7.797 -16.327 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.152 7.420 -13.791 1.00 0.00 H new ATOM 0 HD3 PRO A 45 22.033 7.899 -15.052 1.00 0.00 H new ATOM 750 N ASP A 46 23.818 3.805 -14.177 1.00 0.00 N ATOM 751 CA ASP A 46 24.579 2.694 -13.625 1.00 0.00 C ATOM 752 C ASP A 46 23.652 1.550 -13.256 1.00 0.00 C ATOM 753 O ASP A 46 24.079 0.398 -13.147 1.00 0.00 O ATOM 754 CB ASP A 46 25.385 3.142 -12.400 1.00 0.00 C ATOM 755 CG ASP A 46 26.534 4.056 -12.760 1.00 0.00 C ATOM 756 OD1 ASP A 46 27.642 3.547 -13.023 1.00 0.00 O ATOM 757 OD2 ASP A 46 26.340 5.288 -12.791 1.00 0.00 O ATOM 0 H ASP A 46 23.794 4.634 -13.583 1.00 0.00 H new ATOM 0 HA ASP A 46 25.277 2.347 -14.386 1.00 0.00 H new ATOM 0 HB2 ASP A 46 24.723 3.655 -11.702 1.00 0.00 H new ATOM 0 HB3 ASP A 46 25.773 2.264 -11.884 1.00 0.00 H new ATOM 762 N LYS A 47 22.376 1.870 -13.069 1.00 0.00 N ATOM 763 CA LYS A 47 21.386 0.860 -12.770 1.00 0.00 C ATOM 764 C LYS A 47 20.478 0.638 -13.974 1.00 0.00 C ATOM 765 O LYS A 47 20.037 -0.483 -14.237 1.00 0.00 O ATOM 766 CB LYS A 47 20.549 1.253 -11.550 1.00 0.00 C ATOM 767 CG LYS A 47 19.563 0.165 -11.138 1.00 0.00 C ATOM 768 CD LYS A 47 18.795 0.527 -9.882 1.00 0.00 C ATOM 769 CE LYS A 47 17.832 -0.584 -9.485 1.00 0.00 C ATOM 770 NZ LYS A 47 16.742 -0.767 -10.483 1.00 0.00 N ATOM 0 H LYS A 47 22.010 2.821 -13.121 1.00 0.00 H new ATOM 0 HA LYS A 47 21.910 -0.068 -12.541 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.213 1.471 -10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.002 2.170 -11.770 1.00 0.00 H new ATOM 0 HG2 LYS A 47 18.860 -0.012 -11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.103 -0.768 -10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.494 0.714 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.241 1.451 -10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.383 -1.518 -9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.397 -0.355 -8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.013 -1.395 -10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.319 0.156 -10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.132 -1.190 -11.350 1.00 0.00 H new ATOM 784 N ASN A 48 20.202 1.711 -14.705 1.00 0.00 N ATOM 785 CA ASN A 48 19.363 1.630 -15.887 1.00 0.00 C ATOM 786 C ASN A 48 20.025 2.317 -17.057 1.00 0.00 C ATOM 787 O ASN A 48 19.889 3.522 -17.242 1.00 0.00 O ATOM 788 CB ASN A 48 17.983 2.242 -15.645 1.00 0.00 C ATOM 789 CG ASN A 48 17.177 1.488 -14.601 1.00 0.00 C ATOM 790 OD1 ASN A 48 16.408 0.511 -15.049 1.00 0.00 O flip ATOM 791 ND2 ASN A 48 17.245 1.783 -13.405 1.00 0.00 N flip ATOM 0 H ASN A 48 20.549 2.647 -14.497 1.00 0.00 H new ATOM 0 HA ASN A 48 19.231 0.573 -16.116 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.101 3.278 -15.327 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.428 2.258 -16.583 1.00 0.00 H new ATOM 0 HD21 ASN A 48 17.852 2.545 -13.101 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.695 1.265 -12.720 1.00 0.00 H new ATOM 798 N PRO A 49 20.765 1.554 -17.859 1.00 0.00 N ATOM 799 CA PRO A 49 21.450 2.056 -19.029 1.00 0.00 C ATOM 800 C PRO A 49 20.473 2.620 -20.053 1.00 0.00 C ATOM 801 O PRO A 49 20.796 3.538 -20.810 1.00 0.00 O ATOM 802 CB PRO A 49 22.153 0.820 -19.579 1.00 0.00 C ATOM 803 CG PRO A 49 21.422 -0.308 -19.009 1.00 0.00 C ATOM 804 CD PRO A 49 20.988 0.144 -17.675 1.00 0.00 C ATOM 0 HA PRO A 49 22.130 2.875 -18.796 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.124 0.800 -20.668 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.203 0.799 -19.287 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.568 -0.577 -19.630 1.00 0.00 H new ATOM 0 HG3 PRO A 49 22.056 -1.192 -18.938 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.081 -0.368 -17.352 1.00 0.00 H new ATOM 0 HD3 PRO A 49 21.749 -0.047 -16.918 1.00 0.00 H new ATOM 812 N ASN A 50 19.262 2.082 -20.043 1.00 0.00 N ATOM 813 CA ASN A 50 18.219 2.517 -20.956 1.00 0.00 C ATOM 814 C ASN A 50 17.795 3.949 -20.647 1.00 0.00 C ATOM 815 O ASN A 50 17.364 4.676 -21.534 1.00 0.00 O ATOM 816 CB ASN A 50 17.009 1.568 -20.893 1.00 0.00 C ATOM 817 CG ASN A 50 16.387 1.475 -19.510 1.00 0.00 C ATOM 818 OD1 ASN A 50 15.365 2.273 -19.262 1.00 0.00 O flip ATOM 819 ND2 ASN A 50 16.825 0.686 -18.672 1.00 0.00 N flip ATOM 0 H ASN A 50 18.978 1.337 -19.406 1.00 0.00 H new ATOM 0 HA ASN A 50 18.621 2.490 -21.969 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.253 1.907 -21.601 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.320 0.573 -21.211 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.617 0.086 -18.902 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.396 0.633 -17.748 1.00 0.00 H new ATOM 826 N GLU A 51 17.969 4.363 -19.395 1.00 0.00 N ATOM 827 CA GLU A 51 17.595 5.710 -18.989 1.00 0.00 C ATOM 828 C GLU A 51 18.786 6.666 -19.053 1.00 0.00 C ATOM 829 O GLU A 51 18.673 7.838 -18.698 1.00 0.00 O ATOM 830 CB GLU A 51 16.977 5.712 -17.591 1.00 0.00 C ATOM 831 CG GLU A 51 15.650 4.979 -17.523 1.00 0.00 C ATOM 832 CD GLU A 51 14.608 5.579 -18.448 1.00 0.00 C ATOM 833 OE1 GLU A 51 13.989 6.589 -18.072 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.405 5.041 -19.558 1.00 0.00 O ATOM 0 H GLU A 51 18.364 3.788 -18.650 1.00 0.00 H new ATOM 0 HA GLU A 51 16.844 6.065 -19.695 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.675 5.252 -16.892 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.833 6.742 -17.266 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.803 3.932 -17.784 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.278 5.001 -16.499 1.00 0.00 H new ATOM 841 N GLY A 52 19.923 6.165 -19.534 1.00 0.00 N ATOM 842 CA GLY A 52 21.111 6.995 -19.648 1.00 0.00 C ATOM 843 C GLY A 52 20.922 8.131 -20.635 1.00 0.00 C ATOM 844 O GLY A 52 21.521 9.195 -20.490 1.00 0.00 O ATOM 0 H GLY A 52 20.042 5.201 -19.846 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.362 7.404 -18.669 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.954 6.379 -19.962 1.00 0.00 H new ATOM 848 N GLU A 53 20.082 7.903 -21.647 1.00 0.00 N ATOM 849 CA GLU A 53 19.764 8.941 -22.623 1.00 0.00 C ATOM 850 C GLU A 53 19.132 10.120 -21.909 1.00 0.00 C ATOM 851 O GLU A 53 19.488 11.278 -22.139 1.00 0.00 O ATOM 852 CB GLU A 53 18.768 8.414 -23.656 1.00 0.00 C ATOM 853 CG GLU A 53 18.343 9.459 -24.676 1.00 0.00 C ATOM 854 CD GLU A 53 17.219 8.990 -25.564 1.00 0.00 C ATOM 855 OE1 GLU A 53 16.043 9.131 -25.160 1.00 0.00 O ATOM 856 OE2 GLU A 53 17.498 8.476 -26.662 1.00 0.00 O ATOM 0 H GLU A 53 19.613 7.012 -21.810 1.00 0.00 H new ATOM 0 HA GLU A 53 20.684 9.242 -23.124 1.00 0.00 H new ATOM 0 HB2 GLU A 53 19.213 7.567 -24.179 1.00 0.00 H new ATOM 0 HB3 GLU A 53 17.884 8.041 -23.139 1.00 0.00 H new ATOM 0 HG2 GLU A 53 18.033 10.364 -24.154 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.200 9.726 -25.294 1.00 0.00 H new ATOM 863 N LYS A 54 18.200 9.800 -21.030 1.00 0.00 N ATOM 864 CA LYS A 54 17.494 10.779 -20.267 1.00 0.00 C ATOM 865 C LYS A 54 18.460 11.490 -19.342 1.00 0.00 C ATOM 866 O LYS A 54 18.356 12.688 -19.102 1.00 0.00 O ATOM 867 CB LYS A 54 16.411 10.105 -19.466 1.00 0.00 C ATOM 868 CG LYS A 54 15.539 9.180 -20.289 1.00 0.00 C ATOM 869 CD LYS A 54 15.017 9.841 -21.557 1.00 0.00 C ATOM 870 CE LYS A 54 14.169 8.869 -22.363 1.00 0.00 C ATOM 871 NZ LYS A 54 13.766 9.431 -23.672 1.00 0.00 N ATOM 0 H LYS A 54 17.919 8.840 -20.833 1.00 0.00 H new ATOM 0 HA LYS A 54 17.039 11.509 -20.936 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.869 9.536 -18.657 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.784 10.867 -19.004 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.110 8.291 -20.556 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.696 8.848 -19.684 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.425 10.719 -21.298 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.854 10.189 -22.162 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.728 7.947 -22.522 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.278 8.607 -21.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.069 8.802 -24.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.344 10.371 -23.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.601 9.515 -24.286 1.00 0.00 H new ATOM 885 N PHE A 55 19.404 10.721 -18.822 1.00 0.00 N ATOM 886 CA PHE A 55 20.402 11.221 -17.904 1.00 0.00 C ATOM 887 C PHE A 55 21.270 12.296 -18.561 1.00 0.00 C ATOM 888 O PHE A 55 21.605 13.297 -17.931 1.00 0.00 O ATOM 889 CB PHE A 55 21.272 10.078 -17.367 1.00 0.00 C ATOM 890 CG PHE A 55 22.129 10.470 -16.192 1.00 0.00 C ATOM 891 CD1 PHE A 55 21.570 10.601 -14.928 1.00 0.00 C ATOM 892 CD2 PHE A 55 23.488 10.710 -16.348 1.00 0.00 C ATOM 893 CE1 PHE A 55 22.349 10.960 -13.843 1.00 0.00 C ATOM 894 CE2 PHE A 55 24.269 11.069 -15.265 1.00 0.00 C ATOM 895 CZ PHE A 55 23.699 11.196 -14.012 1.00 0.00 C ATOM 0 H PHE A 55 19.495 9.727 -19.030 1.00 0.00 H new ATOM 0 HA PHE A 55 19.880 11.678 -17.064 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.627 9.249 -17.075 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.915 9.715 -18.169 1.00 0.00 H new ATOM 0 HD1 PHE A 55 20.514 10.420 -14.790 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.939 10.615 -17.325 1.00 0.00 H new ATOM 0 HE1 PHE A 55 21.902 11.056 -12.865 1.00 0.00 H new ATOM 0 HE2 PHE A 55 25.325 11.250 -15.398 1.00 0.00 H new ATOM 0 HZ PHE A 55 24.309 11.479 -13.167 1.00 0.00 H new ATOM 905 N LYS A 56 21.643 12.078 -19.819 1.00 0.00 N ATOM 906 CA LYS A 56 22.447 13.057 -20.553 1.00 0.00 C ATOM 907 C LYS A 56 21.708 14.382 -20.623 1.00 0.00 C ATOM 908 O LYS A 56 22.296 15.446 -20.429 1.00 0.00 O ATOM 909 CB LYS A 56 22.741 12.562 -21.969 1.00 0.00 C ATOM 910 CG LYS A 56 23.687 11.375 -22.037 1.00 0.00 C ATOM 911 CD LYS A 56 23.825 10.864 -23.464 1.00 0.00 C ATOM 912 CE LYS A 56 24.401 11.925 -24.396 1.00 0.00 C ATOM 913 NZ LYS A 56 24.551 11.422 -25.782 1.00 0.00 N ATOM 0 H LYS A 56 21.405 11.240 -20.350 1.00 0.00 H new ATOM 0 HA LYS A 56 23.391 13.191 -20.025 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.801 12.289 -22.448 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.166 13.383 -22.547 1.00 0.00 H new ATOM 0 HG2 LYS A 56 24.666 11.664 -21.655 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.318 10.575 -21.395 1.00 0.00 H new ATOM 0 HD2 LYS A 56 24.469 9.984 -23.474 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.849 10.549 -23.832 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.751 12.800 -24.396 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.372 12.249 -24.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.945 12.173 -26.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.192 10.603 -25.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.621 11.136 -26.150 1.00 0.00 H new ATOM 927 N GLN A 57 20.410 14.296 -20.873 1.00 0.00 N ATOM 928 CA GLN A 57 19.539 15.438 -20.915 1.00 0.00 C ATOM 929 C GLN A 57 19.583 16.185 -19.600 1.00 0.00 C ATOM 930 O GLN A 57 19.732 17.412 -19.563 1.00 0.00 O ATOM 931 CB GLN A 57 18.141 14.930 -21.146 1.00 0.00 C ATOM 932 CG GLN A 57 17.947 14.315 -22.506 1.00 0.00 C ATOM 933 CD GLN A 57 16.567 13.722 -22.712 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.601 14.126 -22.077 1.00 0.00 O ATOM 935 NE2 GLN A 57 16.471 12.762 -23.613 1.00 0.00 N ATOM 0 H GLN A 57 19.935 13.412 -21.054 1.00 0.00 H new ATOM 0 HA GLN A 57 19.851 16.118 -21.708 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.900 14.190 -20.383 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.438 15.754 -21.024 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.125 15.074 -23.268 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.694 13.535 -22.653 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.300 12.454 -24.121 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.567 12.328 -23.802 1.00 0.00 H new ATOM 944 N ILE A 58 19.471 15.427 -18.528 1.00 0.00 N ATOM 945 CA ILE A 58 19.481 15.965 -17.192 1.00 0.00 C ATOM 946 C ILE A 58 20.819 16.623 -16.887 1.00 0.00 C ATOM 947 O ILE A 58 20.866 17.720 -16.355 1.00 0.00 O ATOM 948 CB ILE A 58 19.213 14.844 -16.158 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.796 14.310 -16.302 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.422 15.351 -14.759 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.537 13.037 -15.520 1.00 0.00 C ATOM 0 H ILE A 58 19.370 14.413 -18.565 1.00 0.00 H new ATOM 0 HA ILE A 58 18.693 16.715 -17.125 1.00 0.00 H new ATOM 0 HB ILE A 58 19.918 14.035 -16.350 1.00 0.00 H new ATOM 0 HG12 ILE A 58 17.094 15.076 -15.973 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.594 14.124 -17.357 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.228 14.548 -14.048 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.450 15.695 -14.647 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.739 16.178 -14.566 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.506 12.719 -15.673 1.00 0.00 H new ATOM 0 HD12 ILE A 58 18.213 12.254 -15.865 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.706 13.221 -14.459 1.00 0.00 H new ATOM 963 N SER A 59 21.894 15.953 -17.256 1.00 0.00 N ATOM 964 CA SER A 59 23.238 16.432 -16.985 1.00 0.00 C ATOM 965 C SER A 59 23.516 17.787 -17.662 1.00 0.00 C ATOM 966 O SER A 59 24.082 18.686 -17.044 1.00 0.00 O ATOM 967 CB SER A 59 24.268 15.385 -17.422 1.00 0.00 C ATOM 968 OG SER A 59 25.586 15.801 -17.114 1.00 0.00 O ATOM 0 H SER A 59 21.861 15.062 -17.752 1.00 0.00 H new ATOM 0 HA SER A 59 23.324 16.589 -15.910 1.00 0.00 H new ATOM 0 HB2 SER A 59 24.058 14.437 -16.927 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.180 15.211 -18.494 1.00 0.00 H new ATOM 0 HG SER A 59 26.222 15.113 -17.402 1.00 0.00 H new ATOM 974 N GLN A 60 23.107 17.928 -18.923 1.00 0.00 N ATOM 975 CA GLN A 60 23.322 19.150 -19.666 1.00 0.00 C ATOM 976 C GLN A 60 22.566 20.298 -19.042 1.00 0.00 C ATOM 977 O GLN A 60 23.149 21.349 -18.710 1.00 0.00 O ATOM 978 CB GLN A 60 22.860 18.946 -21.090 1.00 0.00 C ATOM 979 CG GLN A 60 23.648 17.907 -21.863 1.00 0.00 C ATOM 980 CD GLN A 60 23.094 17.670 -23.264 1.00 0.00 C ATOM 981 OE1 GLN A 60 22.199 16.843 -23.465 1.00 0.00 O ATOM 982 NE2 GLN A 60 23.611 18.399 -24.235 1.00 0.00 N ATOM 0 H GLN A 60 22.622 17.199 -19.447 1.00 0.00 H new ATOM 0 HA GLN A 60 24.384 19.394 -19.649 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.810 18.654 -21.080 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.921 19.897 -21.618 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.687 18.226 -21.937 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.642 16.967 -21.311 1.00 0.00 H new ATOM 0 HE21 GLN A 60 24.349 19.072 -24.030 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.272 18.289 -25.191 1.00 0.00 H new ATOM 991 N ALA A 61 21.276 20.093 -18.856 1.00 0.00 N ATOM 992 CA ALA A 61 20.440 21.108 -18.259 1.00 0.00 C ATOM 993 C ALA A 61 20.936 21.436 -16.867 1.00 0.00 C ATOM 994 O ALA A 61 21.075 22.585 -16.527 1.00 0.00 O ATOM 995 CB ALA A 61 18.995 20.664 -18.237 1.00 0.00 C ATOM 0 H ALA A 61 20.788 19.234 -19.110 1.00 0.00 H new ATOM 0 HA ALA A 61 20.497 22.013 -18.863 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.382 21.443 -17.783 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.655 20.482 -19.256 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.905 19.747 -17.655 1.00 0.00 H new ATOM 1001 N TYR A 62 21.253 20.410 -16.083 1.00 0.00 N ATOM 1002 CA TYR A 62 21.783 20.609 -14.752 1.00 0.00 C ATOM 1003 C TYR A 62 23.057 21.449 -14.771 1.00 0.00 C ATOM 1004 O TYR A 62 23.233 22.317 -13.923 1.00 0.00 O ATOM 1005 CB TYR A 62 22.062 19.276 -14.056 1.00 0.00 C ATOM 1006 CG TYR A 62 22.841 19.421 -12.759 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.275 20.011 -11.638 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.152 18.966 -12.665 1.00 0.00 C ATOM 1009 CE1 TYR A 62 22.989 20.145 -10.463 1.00 0.00 C ATOM 1010 CE2 TYR A 62 24.871 19.096 -11.492 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.284 19.687 -10.395 1.00 0.00 C ATOM 1012 OH TYR A 62 24.999 19.825 -9.228 1.00 0.00 O ATOM 0 H TYR A 62 21.149 19.432 -16.354 1.00 0.00 H new ATOM 0 HA TYR A 62 21.019 21.148 -14.191 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.115 18.778 -13.848 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.619 18.630 -14.735 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.258 20.372 -11.685 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.616 18.503 -13.523 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.532 20.608 -9.601 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.888 18.736 -11.436 1.00 0.00 H new ATOM 0 HH TYR A 62 25.896 19.449 -9.348 1.00 0.00 H new ATOM 1022 N GLU A 63 23.938 21.195 -15.743 1.00 0.00 N ATOM 1023 CA GLU A 63 25.208 21.908 -15.818 1.00 0.00 C ATOM 1024 C GLU A 63 24.998 23.416 -15.773 1.00 0.00 C ATOM 1025 O GLU A 63 25.632 24.121 -14.981 1.00 0.00 O ATOM 1026 CB GLU A 63 25.980 21.528 -17.078 1.00 0.00 C ATOM 1027 CG GLU A 63 27.342 22.186 -17.162 1.00 0.00 C ATOM 1028 CD GLU A 63 28.017 21.980 -18.492 1.00 0.00 C ATOM 1029 OE1 GLU A 63 28.354 20.827 -18.826 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.218 22.983 -19.211 1.00 0.00 O ATOM 0 H GLU A 63 23.793 20.506 -16.481 1.00 0.00 H new ATOM 0 HA GLU A 63 25.795 21.614 -14.948 1.00 0.00 H new ATOM 0 HB2 GLU A 63 26.104 20.445 -17.108 1.00 0.00 H new ATOM 0 HB3 GLU A 63 25.394 21.807 -17.954 1.00 0.00 H new ATOM 0 HG2 GLU A 63 27.234 23.255 -16.978 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.980 21.789 -16.372 1.00 0.00 H new ATOM 1037 N VAL A 64 24.126 23.901 -16.621 1.00 0.00 N ATOM 1038 CA VAL A 64 23.807 25.315 -16.670 1.00 0.00 C ATOM 1039 C VAL A 64 22.761 25.732 -15.599 1.00 0.00 C ATOM 1040 O VAL A 64 22.883 26.782 -15.000 1.00 0.00 O ATOM 1041 CB VAL A 64 23.374 25.714 -18.102 1.00 0.00 C ATOM 1042 CG1 VAL A 64 23.115 24.483 -18.939 1.00 0.00 C ATOM 1043 CG2 VAL A 64 22.164 26.603 -18.086 1.00 0.00 C ATOM 0 H VAL A 64 23.616 23.333 -17.297 1.00 0.00 H new ATOM 0 HA VAL A 64 24.712 25.869 -16.421 1.00 0.00 H new ATOM 0 HB VAL A 64 24.193 26.278 -18.550 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.812 24.782 -19.942 1.00 0.00 H new ATOM 0 HG12 VAL A 64 24.025 23.885 -18.998 1.00 0.00 H new ATOM 0 HG13 VAL A 64 22.322 23.892 -18.481 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.890 26.862 -19.108 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.335 26.080 -17.609 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.388 27.513 -17.529 1.00 0.00 H new ATOM 1053 N LEU A 65 21.766 24.885 -15.357 1.00 0.00 N ATOM 1054 CA LEU A 65 20.687 25.177 -14.388 1.00 0.00 C ATOM 1055 C LEU A 65 21.211 25.311 -12.961 1.00 0.00 C ATOM 1056 O LEU A 65 20.726 26.134 -12.201 1.00 0.00 O ATOM 1057 CB LEU A 65 19.542 24.134 -14.472 1.00 0.00 C ATOM 1058 CG LEU A 65 18.390 24.444 -15.481 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.910 24.794 -16.868 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.424 23.265 -15.580 1.00 0.00 C ATOM 0 H LEU A 65 21.674 23.980 -15.818 1.00 0.00 H new ATOM 0 HA LEU A 65 20.273 26.146 -14.668 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.977 23.170 -14.736 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.106 24.025 -13.479 1.00 0.00 H new ATOM 0 HG LEU A 65 17.864 25.316 -15.092 1.00 0.00 H new ATOM 0 HD11 LEU A 65 18.069 25.001 -17.530 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.548 25.676 -16.806 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.486 23.957 -17.263 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.630 23.503 -16.288 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.962 22.381 -15.922 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.989 23.068 -14.600 1.00 0.00 H new ATOM 1072 N SER A 66 22.216 24.524 -12.611 1.00 0.00 N ATOM 1073 CA SER A 66 22.769 24.553 -11.260 1.00 0.00 C ATOM 1074 C SER A 66 23.458 25.889 -10.964 1.00 0.00 C ATOM 1075 O SER A 66 23.668 26.247 -9.799 1.00 0.00 O ATOM 1076 CB SER A 66 23.754 23.400 -11.070 1.00 0.00 C ATOM 1077 OG SER A 66 24.778 23.432 -12.053 1.00 0.00 O ATOM 0 H SER A 66 22.666 23.858 -13.239 1.00 0.00 H new ATOM 0 HA SER A 66 21.943 24.440 -10.558 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.198 23.458 -10.076 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.222 22.450 -11.126 1.00 0.00 H new ATOM 0 HG SER A 66 24.518 22.872 -12.814 1.00 0.00 H new ATOM 1083 N ASP A 67 23.790 26.616 -12.015 1.00 0.00 N ATOM 1084 CA ASP A 67 24.419 27.914 -11.885 1.00 0.00 C ATOM 1085 C ASP A 67 23.516 28.991 -12.457 1.00 0.00 C ATOM 1086 O ASP A 67 23.291 29.045 -13.664 1.00 0.00 O ATOM 1087 CB ASP A 67 25.769 27.931 -12.592 1.00 0.00 C ATOM 1088 CG ASP A 67 26.444 29.283 -12.514 1.00 0.00 C ATOM 1089 OD1 ASP A 67 26.689 29.771 -11.390 1.00 0.00 O ATOM 1090 OD2 ASP A 67 26.747 29.853 -13.580 1.00 0.00 O ATOM 0 H ASP A 67 23.631 26.323 -12.979 1.00 0.00 H new ATOM 0 HA ASP A 67 24.582 28.114 -10.826 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.419 27.177 -12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.632 27.656 -13.638 1.00 0.00 H new ATOM 1095 N ALA A 68 23.012 29.852 -11.588 1.00 0.00 N ATOM 1096 CA ALA A 68 22.092 30.915 -11.988 1.00 0.00 C ATOM 1097 C ALA A 68 22.671 31.781 -13.105 1.00 0.00 C ATOM 1098 O ALA A 68 21.930 32.379 -13.882 1.00 0.00 O ATOM 1099 CB ALA A 68 21.722 31.772 -10.788 1.00 0.00 C ATOM 0 H ALA A 68 23.225 29.838 -10.591 1.00 0.00 H new ATOM 0 HA ALA A 68 21.192 30.440 -12.378 1.00 0.00 H new ATOM 0 HB1 ALA A 68 21.036 32.560 -11.101 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.241 31.151 -10.032 1.00 0.00 H new ATOM 0 HB3 ALA A 68 22.623 32.220 -10.370 1.00 0.00 H new ATOM 1105 N LYS A 69 23.987 31.854 -13.173 1.00 0.00 N ATOM 1106 CA LYS A 69 24.644 32.630 -14.200 1.00 0.00 C ATOM 1107 C LYS A 69 24.507 31.969 -15.570 1.00 0.00 C ATOM 1108 O LYS A 69 24.024 32.593 -16.506 1.00 0.00 O ATOM 1109 CB LYS A 69 26.109 32.869 -13.829 1.00 0.00 C ATOM 1110 CG LYS A 69 26.924 33.576 -14.893 1.00 0.00 C ATOM 1111 CD LYS A 69 28.319 33.893 -14.381 1.00 0.00 C ATOM 1112 CE LYS A 69 29.235 34.344 -15.502 1.00 0.00 C ATOM 1113 NZ LYS A 69 29.552 33.224 -16.427 1.00 0.00 N ATOM 0 H LYS A 69 24.620 31.383 -12.527 1.00 0.00 H new ATOM 0 HA LYS A 69 24.151 33.600 -14.267 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.146 33.457 -12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.576 31.908 -13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 69 26.992 32.949 -15.782 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.422 34.497 -15.190 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.260 34.673 -13.622 1.00 0.00 H new ATOM 0 HD3 LYS A 69 28.740 33.010 -13.899 1.00 0.00 H new ATOM 0 HE2 LYS A 69 28.762 35.154 -16.057 1.00 0.00 H new ATOM 0 HE3 LYS A 69 30.158 34.743 -15.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 30.374 33.478 -17.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 29.770 32.369 -15.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 28.734 33.040 -17.042 1.00 0.00 H new ATOM 1127 N LYS A 70 24.890 30.694 -15.675 1.00 0.00 N ATOM 1128 CA LYS A 70 24.787 29.982 -16.936 1.00 0.00 C ATOM 1129 C LYS A 70 23.332 29.840 -17.333 1.00 0.00 C ATOM 1130 O LYS A 70 22.971 29.992 -18.499 1.00 0.00 O ATOM 1131 CB LYS A 70 25.453 28.612 -16.828 1.00 0.00 C ATOM 1132 CG LYS A 70 26.956 28.696 -16.601 1.00 0.00 C ATOM 1133 CD LYS A 70 27.591 27.330 -16.382 1.00 0.00 C ATOM 1134 CE LYS A 70 27.502 26.463 -17.624 1.00 0.00 C ATOM 1135 NZ LYS A 70 28.289 25.211 -17.477 1.00 0.00 N ATOM 0 H LYS A 70 25.270 30.144 -14.905 1.00 0.00 H new ATOM 0 HA LYS A 70 25.304 30.552 -17.708 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.998 28.057 -16.008 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.260 28.048 -17.740 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.423 29.177 -17.460 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.154 29.328 -15.735 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.636 27.456 -16.100 1.00 0.00 H new ATOM 0 HD3 LYS A 70 27.095 26.827 -15.551 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.459 26.216 -17.822 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.866 27.023 -18.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.998 24.530 -18.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 29.302 25.423 -17.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.119 24.803 -16.536 1.00 0.00 H new ATOM 1149 N ARG A 71 22.504 29.564 -16.341 1.00 0.00 N ATOM 1150 CA ARG A 71 21.072 29.391 -16.531 1.00 0.00 C ATOM 1151 C ARG A 71 20.435 30.609 -17.151 1.00 0.00 C ATOM 1152 O ARG A 71 19.655 30.497 -18.090 1.00 0.00 O ATOM 1153 CB ARG A 71 20.409 29.119 -15.184 1.00 0.00 C ATOM 1154 CG ARG A 71 18.911 28.883 -15.259 1.00 0.00 C ATOM 1155 CD ARG A 71 18.329 28.710 -13.871 1.00 0.00 C ATOM 1156 NE ARG A 71 16.875 28.528 -13.886 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.062 28.931 -12.895 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.551 29.602 -11.857 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.761 28.676 -12.950 1.00 0.00 N ATOM 0 H ARG A 71 22.807 29.453 -15.373 1.00 0.00 H new ATOM 0 HA ARG A 71 20.929 28.549 -17.208 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.880 28.247 -14.731 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.599 29.964 -14.522 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.429 29.723 -15.759 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.707 27.996 -15.858 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.794 27.849 -13.391 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.576 29.583 -13.267 1.00 0.00 H new ATOM 0 HE ARG A 71 16.456 28.069 -14.695 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.548 29.813 -11.810 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.929 29.906 -11.107 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.373 28.172 -13.747 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.149 28.984 -12.195 1.00 0.00 H new ATOM 1173 N GLU A 72 20.787 31.774 -16.650 1.00 0.00 N ATOM 1174 CA GLU A 72 20.171 32.977 -17.084 1.00 0.00 C ATOM 1175 C GLU A 72 20.606 33.336 -18.487 1.00 0.00 C ATOM 1176 O GLU A 72 19.788 33.750 -19.314 1.00 0.00 O ATOM 1177 CB GLU A 72 20.457 34.101 -16.095 1.00 0.00 C ATOM 1178 CG GLU A 72 19.768 35.383 -16.455 1.00 0.00 C ATOM 1179 CD GLU A 72 19.866 36.434 -15.376 1.00 0.00 C ATOM 1180 OE1 GLU A 72 20.924 37.082 -15.262 1.00 0.00 O ATOM 1181 OE2 GLU A 72 18.874 36.621 -14.632 1.00 0.00 O ATOM 0 H GLU A 72 21.505 31.898 -15.936 1.00 0.00 H new ATOM 0 HA GLU A 72 19.092 32.826 -17.116 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.140 33.791 -15.099 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.532 34.273 -16.049 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.201 35.775 -17.375 1.00 0.00 H new ATOM 0 HG3 GLU A 72 18.717 35.178 -16.659 1.00 0.00 H new ATOM 1188 N LEU A 73 21.890 33.160 -18.761 1.00 0.00 N ATOM 1189 CA LEU A 73 22.427 33.470 -20.050 1.00 0.00 C ATOM 1190 C LEU A 73 21.867 32.513 -21.095 1.00 0.00 C ATOM 1191 O LEU A 73 21.489 32.929 -22.190 1.00 0.00 O ATOM 1192 CB LEU A 73 23.944 33.368 -20.006 1.00 0.00 C ATOM 1193 CG LEU A 73 24.625 34.106 -18.850 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.126 34.070 -18.988 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.111 35.529 -18.716 1.00 0.00 C ATOM 0 H LEU A 73 22.573 32.801 -18.093 1.00 0.00 H new ATOM 0 HA LEU A 73 22.143 34.487 -20.322 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.218 32.314 -19.952 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.343 33.753 -20.944 1.00 0.00 H new ATOM 0 HG LEU A 73 24.367 33.583 -17.929 1.00 0.00 H new ATOM 0 HD11 LEU A 73 26.581 34.602 -18.153 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.467 33.035 -18.988 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.417 34.547 -19.924 1.00 0.00 H new ATOM 0 HD21 LEU A 73 24.617 36.022 -17.886 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.309 36.076 -19.638 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.037 35.512 -18.528 1.00 0.00 H new ATOM 1207 N TYR A 74 21.813 31.229 -20.738 1.00 0.00 N ATOM 1208 CA TYR A 74 21.299 30.196 -21.628 1.00 0.00 C ATOM 1209 C TYR A 74 19.824 30.424 -21.911 1.00 0.00 C ATOM 1210 O TYR A 74 19.367 30.324 -23.048 1.00 0.00 O ATOM 1211 CB TYR A 74 21.498 28.815 -21.013 1.00 0.00 C ATOM 1212 CG TYR A 74 21.379 27.690 -22.015 1.00 0.00 C ATOM 1213 CD1 TYR A 74 22.443 27.369 -22.843 1.00 0.00 C ATOM 1214 CD2 TYR A 74 20.205 26.958 -22.141 1.00 0.00 C ATOM 1215 CE1 TYR A 74 22.349 26.350 -23.769 1.00 0.00 C ATOM 1216 CE2 TYR A 74 20.101 25.935 -23.065 1.00 0.00 C ATOM 1217 CZ TYR A 74 21.175 25.638 -23.878 1.00 0.00 C ATOM 1218 OH TYR A 74 21.076 24.623 -24.800 1.00 0.00 O ATOM 0 H TYR A 74 22.123 30.881 -19.830 1.00 0.00 H new ATOM 0 HA TYR A 74 21.852 30.249 -22.566 1.00 0.00 H new ATOM 0 HB2 TYR A 74 22.481 28.772 -20.545 1.00 0.00 H new ATOM 0 HB3 TYR A 74 20.762 28.668 -20.223 1.00 0.00 H new ATOM 0 HD1 TYR A 74 23.364 27.927 -22.762 1.00 0.00 H new ATOM 0 HD2 TYR A 74 19.362 27.191 -21.508 1.00 0.00 H new ATOM 0 HE1 TYR A 74 23.190 26.113 -24.404 1.00 0.00 H new ATOM 0 HE2 TYR A 74 19.184 25.371 -23.150 1.00 0.00 H new ATOM 0 HH TYR A 74 21.958 24.220 -24.939 1.00 0.00 H new ATOM 1228 N ASP A 75 19.088 30.724 -20.854 1.00 0.00 N ATOM 1229 CA ASP A 75 17.651 30.977 -20.935 1.00 0.00 C ATOM 1230 C ASP A 75 17.369 32.195 -21.803 1.00 0.00 C ATOM 1231 O ASP A 75 16.349 32.255 -22.494 1.00 0.00 O ATOM 1232 CB ASP A 75 17.073 31.172 -19.530 1.00 0.00 C ATOM 1233 CG ASP A 75 15.599 31.489 -19.525 1.00 0.00 C ATOM 1234 OD1 ASP A 75 14.784 30.561 -19.716 1.00 0.00 O ATOM 1235 OD2 ASP A 75 15.245 32.664 -19.302 1.00 0.00 O ATOM 0 H ASP A 75 19.467 30.800 -19.910 1.00 0.00 H new ATOM 0 HA ASP A 75 17.170 30.114 -21.395 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.244 30.267 -18.947 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.612 31.979 -19.033 1.00 0.00 H new ATOM 1240 N LYS A 76 18.284 33.154 -21.761 1.00 0.00 N ATOM 1241 CA LYS A 76 18.177 34.375 -22.550 1.00 0.00 C ATOM 1242 C LYS A 76 18.179 34.059 -24.045 1.00 0.00 C ATOM 1243 O LYS A 76 17.399 34.630 -24.814 1.00 0.00 O ATOM 1244 CB LYS A 76 19.336 35.320 -22.210 1.00 0.00 C ATOM 1245 CG LYS A 76 19.318 36.626 -22.984 1.00 0.00 C ATOM 1246 CD LYS A 76 20.494 37.507 -22.613 1.00 0.00 C ATOM 1247 CE LYS A 76 20.464 38.810 -23.386 1.00 0.00 C ATOM 1248 NZ LYS A 76 21.605 39.685 -23.041 1.00 0.00 N ATOM 0 H LYS A 76 19.121 33.108 -21.180 1.00 0.00 H new ATOM 0 HA LYS A 76 17.233 34.862 -22.305 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.309 35.542 -21.143 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.278 34.807 -22.405 1.00 0.00 H new ATOM 0 HG2 LYS A 76 19.342 36.417 -24.053 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.387 37.156 -22.784 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.474 37.715 -21.543 1.00 0.00 H new ATOM 0 HD3 LYS A 76 21.426 36.980 -22.818 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.480 38.598 -24.455 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.530 39.333 -23.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.546 40.565 -23.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.576 39.909 -22.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.496 39.197 -23.262 1.00 0.00 H new ATOM 1262 N GLY A 77 19.053 33.155 -24.444 1.00 0.00 N ATOM 1263 CA GLY A 77 19.137 32.767 -25.829 1.00 0.00 C ATOM 1264 C GLY A 77 20.350 31.918 -26.100 1.00 0.00 C ATOM 1265 O GLY A 77 20.291 31.055 -26.992 1.00 0.00 O ATOM 1266 OXT GLY A 77 21.373 32.111 -25.418 1.00 0.00 O ATOM 0 H GLY A 77 19.711 32.680 -23.827 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.238 32.216 -26.107 1.00 0.00 H new ATOM 0 HA3 GLY A 77 19.171 33.659 -26.455 1.00 0.00 H new TER 1270 GLY A 77